CID 197140

13178-31-9

Structural Information

Molecular Formula
C8H9Cl4NO2
SMILES
C1COCCN1C(=O)C(C(=C(Cl)Cl)Cl)Cl
InChI
InChI=1S/C8H9Cl4NO2/c9-5(7(11)12)6(10)8(14)13-1-3-15-4-2-13/h6H,1-4H2
InChIKey
CIQLKIDQXGHLJD-UHFFFAOYSA-N
Compound name
2,3,4,4-tetrachloro-1-morpholin-4-ylbut-3-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.93875 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.94603 153.6
[M+Na]+ 313.92797 158.5
[M-H]- 289.93147 152.4
[M+NH4]+ 308.97257 166.8
[M+K]+ 329.90191 155.3
[M+H-H2O]+ 273.93601 149.9
[M+HCOO]- 335.93695 148.8
[M+CH3COO]- 349.95260 196.5
[M+Na-2H]- 311.91342 152.4
[M]+ 290.93820 151.3
[M]- 290.93930 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.